Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29870181 | 0.96 | ALDH1A1 (0.34) | CA1CA2MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29870007 | 0.95 | NAAA (0.35) | MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL10704941 | 0.95 | NAAA (0.35) | MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL29397787 | 0.92 | ALDH1A1 (0.33) | MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL8078214 | 0.89 | MAPT (0.33) | CA1CA2MEN1KMT2A | |
| SCHEMBL4100097 | 0.87 | CA2 (0.38) | CA2MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL20764818 | 0.85 | MEN1 (0.34) | MEN1KMT2AALDH1A1 | |
| SCHEMBL9787 | 0.85 | MEN1 (0.34) | MEN1KMT2AALDH1A1 | |
| SCHEMBL3988416 | 0.85 | CA1 (0.40) | CA1CA2MEN1KMT2ARAB9A | |
| SCHEMBL30989292 | 0.82 | MEN1 (0.38) | MEN1KMT2ATP53NAAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112920167-B | Double-target inhibitor targeting FGFR and HDAC, preparation method and application thereof, pharmaceutical composition and medicament | 四川大学华西医院 | 2022-08-26 | — | — | CN | disclosed |
| WO-2022037365-A1 | DOUBLE-TARGET INHIBITOR TARGETING FGFR AND HDAC, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITION AND MEDICAMENT | 四川大学华西医院 | 2022-02-24 | — | — | WO | disclosed |